2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide

C18H16N4O6 — CID 55735610

IUPAC2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)10-4-3-5-11(8-10)19-15(23)13-9-12(22(26)27)6-7-14(13)28-2/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25)
InChIKeyQKNNTGMLFXHLML-UHFFFAOYSA-N
MW384.35 g/mol
LogP1.91
Rot. Bonds5

About 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide

2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide (PubChem CID 55735610) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
PubChem CID55735610
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)10-4-3-5-11(8-10)19-15(23)13-9-12(22(26)27)6-7-14(13)28-2/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25)
InChIKeyQKNNTGMLFXHLML-UHFFFAOYSA-N
XLogP1.91
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
N-[3-(tert-butylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9371958
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55722650
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
CID 55735673
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide (CID 55735610) is 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide?
The InChIKey is QKNNTGMLFXHLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)10-4-3-5-11(8-10)19-15(23)13-9-12(22(26)27)6-7-14(13)28-2/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25).
What are the key properties of 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide?
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide has a molecular weight of 384.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 55735610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).